Phenyl (4-methylphenyl)sulfonylmethanedithioate
TL;DR: Phenyl (4-methylphenyl)sulfonylmethanedithioate (CAS 31536-16-0) is a chemical compound with molecular formula C14H12O2S3 and molecular weight 308.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (4-methylphenyl)sulfonylmethanedithioate
Also Known As: phenyl (4-methylphenyl)sulfonylmethanedithioate, (4-Methylbenzene-1-sulfonyl)(phenylsulfanyl)methanethione, RefChem:369603
| Molecular Formula | C14H12O2S3 |
|---|---|
| Molecular Weight | 308.00 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.99994 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 31536-16-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=S)SC2=CC=CC=C2 |
| InChIKey | QCYVWUVJNCVRJZ-UHFFFAOYSA-N |
Product Overview
Phenyl (4-methylphenyl)sulfonylmethanedithioate (CAS 31536-16-0), with molecular formula C14H12O2S3 and molecular weight 308.00 g/mol. IUPAC: phenyl (4-methylphenyl)sulfonylmethanedithioate.
Chemical Property Profile of Phenyl (4-methylphenyl)sulfonylmethanedithioate
Property Insights of Phenyl (4-methylphenyl)sulfonylmethanedithioate
The XLogP value of 4.4 indicates that Phenyl (4-methylphenyl)sulfonylmethanedithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl (4-methylphenyl)sulfonylmethanedithioate. Following Lipinski's Rule of Five, Phenyl (4-methylphenyl)sulfonylmethanedithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl (4-methylphenyl)sulfonylmethanedithioate?
The CAS number of Phenyl (4-methylphenyl)sulfonylmethanedithioate is 31536-16-0.
What is the molecular formula of Phenyl (4-methylphenyl)sulfonylmethanedithioate?
The molecular formula of Phenyl (4-methylphenyl)sulfonylmethanedithioate is C14H12O2S3.
What is the molecular weight of Phenyl (4-methylphenyl)sulfonylmethanedithioate?
The molecular weight of Phenyl (4-methylphenyl)sulfonylmethanedithioate is 308.00 g/mol.
Where can I buy Phenyl (4-methylphenyl)sulfonylmethanedithioate?
You can request a quote for Phenyl (4-methylphenyl)sulfonylmethanedithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl (4-methylphenyl)sulfonylmethanedithioate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl (4-methylphenyl)sulfonylmethanedithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.